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	hartrees
Energy at 0K	-302.614100
Energy at 298.15K
HF Energy	-301.603382
Nuclear repulsion energy	160.327666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3080	2948	55.81
2	A₁	1949	1866	25.38
3	A₁	1478	1415	0.07
4	A₁	1188	1137	105.03
5	A₁	558	534	0.79
6	A₁	289	277	14.83
7	A₂	1047	1002	0.00
8	A₂	178	171	0.00
9	B₁	1055	1009	0.01
10	B₁	128	122	5.08
11	B₂	3057	2926	1.50
12	B₂	1872	1791	712.76
13	B₂	1419	1358	14.80
14	B₂	1145	1095	684.83
15	B₂	725	694	44.95

Atom	y (Å)	z (Å)
O1	0.000	0.390
C2	1.168	-0.319
C3	-1.168	-0.319
O4	2.222	0.220
O5	-2.222	0.220
H6	1.025	-1.406
H7	-1.025	-1.406

	O1	C2	C3	O4	O5	H6	H7
O1		1.3665	1.3665	2.2283	2.2283	2.0679	2.0679
C2	1.3665		2.3361	1.1838	3.4325	1.0964	2.4473
C3	1.3665	2.3361		3.4325	1.1838	2.4473	1.0964
O4	2.2283	1.1838	3.4325		4.4437	2.0194	3.6311
O5	2.2283	3.4325	1.1838	4.4437		3.6311	2.0194
H6	2.0679	1.0964	2.4473	2.0194	3.6311		2.0494
H7	2.0679	2.4473	1.0964	3.6311	2.0194	2.0494

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	O4	121.636	O1	C2	H6	113.752
O1	C3	O5	121.636	C2	O1	C3	117.472
O4	C2	H6	124.613

All results from a given calculation for CHOOCHO (diformyl ether)

using model chemistry: CCD/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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